CAS 64091-90-3: 4-(Methylnitrosamino)-4-(3-pyridyl)butanal

Description: 4-(Methylnitrosamino)-4-(3-pyridyl)butanal, commonly referred to as a nitrosamine compound, is characterized by its complex structure that includes a pyridine ring and a nitrosamino group. This compound is known for its potential carcinogenic properties, particularly in the context of tobacco products, where it can form during the curing and processing of tobacco. The presence of the methylnitrosamino group is significant as it is associated with the formation of DNA adducts, which can lead to mutations and cancer development. The compound is typically a colorless to pale yellow liquid or solid, depending on its purity and form. It is soluble in organic solvents and exhibits stability under certain conditions, although it can decompose when exposed to heat or light. Due to its toxicological profile, 4-(Methylnitrosamino)-4-(3-pyridyl)butanal is of considerable interest in research related to cancer biology and public health, particularly in understanding the risks associated with tobacco consumption.

Formula: C₁₀H₁₃N₃O₂

InChI: InChI=1S/C10H13N3O2/c1-13(12-15)10(5-3-7-14)9-4-2-6-11-8-9/h2,4,6-8,10H,3,5H2,1H3

InChI key: InChIKey=FRJHUNPWTKLYGL-UHFFFAOYSA-N

SMILES: O=NN(C)C(C=1C=NC=CC1)CCC=O

Synonyms:

• 1-(N-Methyl-N-nitrosamino)-1-(3-pyridinyl)-4-butanal
• 4-(Methylnitrosamino)-4-(3-pyridyl)butanal
• 4-(N-Methyl-N-nitrosamino)-4-(3-pyridyl)-1-butanal
• 4-(N-Methyl-N-nitrosamino)-4-(3-pyridyl)butanal
• γ-(Methylnitrosoamino)-3-pyridinebutanal
• 3-Pyridinebutanal, γ-(methylnitrosoamino)-

4-(N-Methyl-N-nitrosamino)-4-(3-pyridyl)butanal

CAS: 64091-90-3

Applications A tobacco smoke-derived nitrosamine which is activated by multiple human cytochrome P 450s including …

• Formula: C₁₀H₁₃N₃O₂
• Color and Shape: Light Brown Liquid
• Molecular weight: 207.23

4-(N-Methyl-N-nitrosamino)-4-(3-pyridyl)butanal

CAS: 64091-90-3

4-(N-Methyl-N-nitrosamino)-4-(3-pyridyl)butanal is a nitrosamine that has been found to be carcinogenic in long-term studies. It …

• Formula: C₁₀H₁₃N₃O₂
• Purity: Min. 95%
• Molecular weight: 207.23 g/mol